Basic information
- CAS
41472-84-8- Standard SMILES
CCCCC(O)C=O- InChIKey
BRZMRZVKWQWYPJ-UHFFFAOYSA-N- Molecular formula
- C6H12O2
- Average molar mass
- 116.16 g/mol
- Monoisotopic mass
- 116.08372962
Overview
2-hydroxy caproaldehyde is a fatty aldehyde.
Names & identifiers
- Preferred name
- 2-Hydroxyhexanal
- IUPAC
- 2-hydroxyhexanal
Names & synonyms
2-Hydroxyhexanal41472-84-8DTXSID10961739RefChem:1063433DTXCID8013895582-hydroxy-hexanal2-hydroxy caproaldehydeHEXANAL, 2-HYDROXY-BRN 17206773-01-00-03228 (Beilstein Handbook Reference)SCHEMBL830089SCHEMBL2575567
Show more names
SCHEMBL8735658SCHEMBL28003235CHEBI:179301LMFA06000012AKOS015329091
Database identifiers
- CAS
41472-84-8- PubChem CID
- 38883
- DTXSID
DTXSID10961739- ChEBI
CHEBI:179301- Nikkaji
- J2.650.945I
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 61.5
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty aldehydes [FA06]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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